1.0 2010-04-08 22:14:49 UTC 2015-07-21 06:42:50 UTC FDB020143 Ethyl 3-phenylpropanoate Flavouring ingredient Benzenepropanoic acid, ethyl ester Ethyl 3-phenylpropanoate Ethyl 3-phenylpropionate Ethyl 3-phenylproprionate Ethyl benzenepropanoate Ethyl dihydrocinnamate Ethyl hydrocinnamate Ethylhydrocinnamoate Ethylphenyl propanoate FEMA 2455 Hydrocinnamic acid, ethyl ester Hydrocinnamic acid, ethyl ester (8ci) Vanilglycolic acid C11H14O2 178.2277 178.099379692 ethyl 3-phenylpropanoate ethyl B-phenylpropionate 2021-28-5 CCOC(=O)CCC1=CC=CC=C1 InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 JAGZUIGGHGTFHO-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aromatic homomonocyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 2.79 ALOGPS logs -3.21 ALOGPS solubility 1.10e-01 g/l ALOGPS logp 2.56 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl 3-phenylpropanoate ChemAxon average_mass 178.2277 ChemAxon mono_mass 178.099379692 ChemAxon smiles CCOC(=O)CCC1=CC=CC=C1 ChemAxon formula C11H14O2 ChemAxon inchi InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 ChemAxon inchikey JAGZUIGGHGTFHO-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 51.48 ChemAxon polarizability 20.23 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4463 Specdb::NmrOneD 4587 Specdb::CMs 11574 Specdb::CMs 172045 Specdb::MsIr 8945 Specdb::MsIr 8946 Specdb::MsMs 79503 Specdb::MsMs 79504 Specdb::MsMs 79505 Specdb::MsMs 140127 Specdb::MsMs 140128 Specdb::MsMs 140129 Specdb::MsMs 2432038 Specdb::MsMs 2432039 Specdb::MsMs 2432040 Specdb::MsMs 2503598 Specdb::MsMs 2503599 Specdb::MsMs 2503600 HMDB40411 #<Reference:0x000055ce318f0d90> Red wine Type 2 1.206205 2.41 0.00241 mg/100 g flower fruity honey hyacinth rose rum